2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

C10H11Cl2N3O4S — CID 6600221

IUPAC2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H11Cl2N3O4S/c11-7-3-13-15(10(17)9(7)12)4-8(16)14-6-1-2-20(18,19)5-6/h3,6H,1-2,4-5H2,(H,14,16)/t6-/m0/s1
InChIKeyQERZDFNNLHGKNY-LURJTMIESA-N
MW340.19 g/mol
LogP-0.15
Rot. Bonds3

About 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide

2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (PubChem CID 6600221) has the molecular formula C10H11Cl2N3O4S and a molecular weight of 340.19 g/mol. Its IUPAC name is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
PubChem CID6600221
Molecular FormulaC10H11Cl2N3O4S
Molecular Weight340.19 g/mol
Exact Mass338.98
IUPAC Name2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide
SMILESO=C(Cn1ncc(Cl)c(Cl)c1=O)N[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C10H11Cl2N3O4S/c11-7-3-13-15(10(17)9(7)12)4-8(16)14-6-1-2-20(18,19)5-6/h3,6H,1-2,4-5H2,(H,14,16)/t6-/m0/s1
InChIKeyQERZDFNNLHGKNY-LURJTMIESA-N
XLogP-0.15
TPSA98.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The IUPAC name of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide (CID 6600221) is 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide.
What is the SMILES notation for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The canonical SMILES for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is O=C(Cn1ncc(Cl)c(Cl)c1=O)N[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
The InChIKey is QERZDFNNLHGKNY-LURJTMIESA-N. The full InChI is InChI=1S/C10H11Cl2N3O4S/c11-7-3-13-15(10(17)9(7)12)4-8(16)14-6-1-2-20(18,19)5-6/h3,6H,1-2,4-5H2,(H,14,16)/t6-/m0/s1.
What are the key properties of 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide?
2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide has a molecular weight of 340.19 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[(3S)-1,1-dioxothiolan-3-yl]acetamide is sourced from PubChem (CID 6600221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).